6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran

C6H7F3S — CID 162787527

IUPAC6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran
SMILESFC(F)(F)C1=CCCCS1
InChIInChI=1S/C6H7F3S/c7-6(8,9)5-3-1-2-4-10-5/h3H,1-2,4H2
InChIKeyFYHDUHINRAQGAH-UHFFFAOYSA-N
MW168.18 g/mol
LogP2.96
Rot. Bonds

About 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran

6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran (PubChem CID 162787527) has the molecular formula C6H7F3S and a molecular weight of 168.18 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran.

Molecular Properties

Compound Name6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran
PubChem CID162787527
Molecular FormulaC6H7F3S
Molecular Weight168.18 g/mol
Exact Mass168.02
IUPAC Name6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran
SMILESFC(F)(F)C1=CCCCS1
InChIInChI=1S/C6H7F3S/c7-6(8,9)5-3-1-2-4-10-5/h3H,1-2,4H2
InChIKeyFYHDUHINRAQGAH-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Butylsulfanyl)-3,4,4,5,5,6,6,6-octafluorohex-2-ene
CID 71429344
5-(Trifluoromethyl)-2,3-dihydrothiophene
CID 123779355
6-Fluoro-6-(trifluoromethyl)-2,5-dihydrothiopyran
CID 85973980
4-(Trifluoromethyl)-3,6-dihydro-2 H-thiopyran
CID 162787526
6,6-Bis(trifluoromethyl)-2,5-dihydrothiopyran
CID 23233535
(Z)-1-butylsulfanyl-3,4,4,5,5,6,6,6-octafluorohex-2-ene
CID 13207106
2-Methyl-5-(trifluoromethyl)-2,3-dihydrothiophene
CID 154541029
(Z)-3-ethylsulfanyl-1,1,1-trifluoropent-2-ene
CID 162587996

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran?
The IUPAC name of 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran (CID 162787527) is 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran.
What is the SMILES notation for 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran?
The canonical SMILES for 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran is FC(F)(F)C1=CCCCS1.
What is the InChIKey of 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran?
The InChIKey is FYHDUHINRAQGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3S/c7-6(8,9)5-3-1-2-4-10-5/h3H,1-2,4H2.
What are the key properties of 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran?
6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran has a molecular weight of 168.18 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3,4-dihydro-2H-thiopyran is sourced from PubChem (CID 162787527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).